TL;DR: 1-(4-methoxyphenyl)-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole (CAS 878243-50-6) is a chemical compound with molecular formula C17H14N6O2S and molecular weight 366.0899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
Also Known As: 1-(4-methoxyphenyl)-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole, 2-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
| Molecular Formula | C17H14N6O2S |
| Molecular Weight | 366.0899 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.0899 Da |
| Heavy Atoms | 26 |
| Complexity | 433.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NN=C(O3)C4=CC=CC=C4 |
| InChIKey | ZVPAEPYXZRXOPU-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-(4-methoxyphenyl)-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxyphenyl)-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole. Following Lipinski's Rule of Five, 1-(4-methoxyphenyl)-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-methoxyphenyl)-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole is 878243-50-6.
The molecular formula of 1-(4-methoxyphenyl)-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole is C17H14N6O2S.
The molecular weight of 1-(4-methoxyphenyl)-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole is 366.0899 g/mol.
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